Molecular graph enhanced transformer for retrosynthesis prediction
Kelong Mao, Xi Xiao, Tingyang Xu, Yu Rong, Junzhou Huang, Peilin Zhao
Topics & Concepts
Retrosynthetic analysisTransformerComputer scienceArtificial intelligenceMachine translationGraphNatural language processingMachine learningTheoretical computer scienceData miningEngineeringVoltageChemistryOrganic chemistryElectrical engineeringTotal synthesisMachine Learning in Materials ScienceComputational Drug Discovery MethodsProtein Structure and Dynamics